Reply to "Comment on 'Determination of the bulk melting temperature of nickel using Monte Carlo simulations: Inaccuracy of extrapolation from cluster melting temperatures' "
The thermodynamic integration (TI) method for determining the melting temperature has to be performed with great care to ensure accuracy. Since the slopes of the Gibbs free energy curves as a function of temperature (or pressure) are usually rather close, small shifts in the free energy curves can l...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society,
2012-04-19T17:58:59Z.
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| Subjects: | |
| Online Access: | Get fulltext |